SCHEMBL30853318

SCHEMBL30853318

CC1(n2cc(C(N)=O)c3[nH]ccc3c2=O)CC1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 12/20 0.39
▸ BRD4 O60885 4/20 0.39
▸ CECR2 Q9BXF3 3/20 0.38
▸ PDPK1 O15530 1/20 0.36
▸ TAF1 P21675 2/20 0.35
▸ BRD9 Q9H8M2 2/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL27186103 0.88 CECR2 (0.36) BRD4CECR2TAF1BRD9
SCHEMBL27186295 0.85 PIM3 (0.39) BRD4CECR2TAF1BRD9
SCHEMBL30853329 0.75 BTK (0.37) BTK
SCHEMBL29844397 0.68 BTK (0.41) BTKBRD4CECR2TAF1BRD9
SCHEMBL30853365 0.68 BTK (0.39) BTKBRD4CECR2PDPK1
SCHEMBL9965010 0.66 BTK (0.65) BTKPDPK1
SCHEMBL21481676 0.64 BTK (0.55) BTKBRD4PDPK1
SCHEMBL16382696 0.64 BTK (0.55) BTKPDPK1
SCHEMBL16382682 0.64 BTK (0.48) BTKPDPK1
SCHEMBL27186168 0.63 NOTUM (0.33) —

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117651701-A Novel substituted bicyclic aza heterocycles as SOS1 inhibitors 唯久生物技术(苏州)有限公司 2024-03-05 — — CN disclosed
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